(3S)-3-amino-N-methylpyrrolidine-1-carboxamide;hydrochloride

C6H14ClN3O — CID 165468202

IUPAC(3S)-3-amino-N-methylpyrrolidine-1-carboxamide;hydrochloride
SMILESCNC(=O)N1CC[C@H](N)C1.Cl
InChIInChI=1S/C6H13N3O.ClH/c1-8-6(10)9-3-2-5(7)4-9;/h5H,2-4,7H2,1H3,(H,8,10);1H/t5-;/m0./s1
InChIKeyBIWDSTLIEPUSEY-JEDNCBNOSA-N
MW179.65 g/mol
LogP-0.22
Rot. Bonds

About (3S)-3-amino-N-methylpyrrolidine-1-carboxamide;hydrochloride

(3S)-3-amino-N-methylpyrrolidine-1-carboxamide;hydrochloride (PubChem CID 165468202) has the molecular formula C6H14ClN3O and a molecular weight of 179.65 g/mol. Its IUPAC name is (3S)-3-amino-N-methylpyrrolidine-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name(3S)-3-amino-N-methylpyrrolidine-1-carboxamide;hydrochloride
PubChem CID165468202
Molecular FormulaC6H14ClN3O
Molecular Weight179.65 g/mol
Exact Mass179.08
IUPAC Name(3S)-3-amino-N-methylpyrrolidine-1-carboxamide;hydrochloride
SMILESCNC(=O)N1CC[C@H](N)C1.Cl
InChIInChI=1S/C6H13N3O.ClH/c1-8-6(10)9-3-2-5(7)4-9;/h5H,2-4,7H2,1H3,(H,8,10);1H/t5-;/m0./s1
InChIKeyBIWDSTLIEPUSEY-JEDNCBNOSA-N
XLogP-0.22
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.65
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-N-methylpyrrolidine-1-carboxamide;hydrochloride?
The IUPAC name of (3S)-3-amino-N-methylpyrrolidine-1-carboxamide;hydrochloride (CID 165468202) is (3S)-3-amino-N-methylpyrrolidine-1-carboxamide;hydrochloride.
What is the SMILES notation for (3S)-3-amino-N-methylpyrrolidine-1-carboxamide;hydrochloride?
The canonical SMILES for (3S)-3-amino-N-methylpyrrolidine-1-carboxamide;hydrochloride is CNC(=O)N1CC[C@H](N)C1.Cl.
What is the InChIKey of (3S)-3-amino-N-methylpyrrolidine-1-carboxamide;hydrochloride?
The InChIKey is BIWDSTLIEPUSEY-JEDNCBNOSA-N. The full InChI is InChI=1S/C6H13N3O.ClH/c1-8-6(10)9-3-2-5(7)4-9;/h5H,2-4,7H2,1H3,(H,8,10);1H/t5-;/m0./s1.
What are the key properties of (3S)-3-amino-N-methylpyrrolidine-1-carboxamide;hydrochloride?
(3S)-3-amino-N-methylpyrrolidine-1-carboxamide;hydrochloride has a molecular weight of 179.65 g/mol, XLogP of -0.22, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-N-methylpyrrolidine-1-carboxamide;hydrochloride is sourced from PubChem (CID 165468202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).